5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one

C18H20ClFN4O — CID 138483866

IUPAC5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1C1(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)CC1
InChIInChI=1S/C18H20ClFN4O/c1-12-10-13(20)2-3-14(12)18(4-5-18)24-8-6-23(7-9-24)15-11-21-22-17(25)16(15)19/h2-3,10-11H,4-9H2,1H3,(H,22,25)
InChIKeyIVDQWTPWCQKZBN-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483866) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483866
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1C1(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)CC1
InChIInChI=1S/C18H20ClFN4O/c1-12-10-13(20)2-3-14(12)18(4-5-18)24-8-6-23(7-9-24)15-11-21-22-17(25)16(15)19/h2-3,10-11H,4-9H2,1H3,(H,22,25)
InChIKeyIVDQWTPWCQKZBN-UHFFFAOYSA-N
XLogP2.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138483866) is 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cc(F)ccc1C1(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)CC1.
What is the InChIKey of 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is IVDQWTPWCQKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c1-12-10-13(20)2-3-14(12)18(4-5-18)24-8-6-23(7-9-24)15-11-21-22-17(25)16(15)19/h2-3,10-11H,4-9H2,1H3,(H,22,25).
What are the key properties of 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 362.84 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[1-(4-fluoro-2-methylphenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).